1C2Y

CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	MAR
Collection date	1998-03-15
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	218.240, 218.240, 218.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 3.300
R-factor	0.31
Rwork	0.310
R-free	0.32600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rvv
RMSD bond length	0.014
RMSD bond angle	21.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.360
High resolution limit [Å]	3.300	3.300
Rmerge	0.111 *	0.338 *
Total number of observations	801553 *
Number of reflections	52248
<I/σ(I)>	12.1	3.9
Completeness [%]	98.3	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6		0.1 M TRIS-HCL PH 7.6, 17 % PEG 1500, 5 % PEG 400, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir	PEG1500	17 (%)
3	1	reservoir	PEG400	5 (%)